Chemical Components in the PDB

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URN : Summary

Code

URN

One-letter code

X

Molecule name

5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIONE

Systematic names

ProgramVersionName
ACDLabs 10.04 5,6-diaminopyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.0 5,6-diamino-1H-pyrimidine-2,4-dione

Formula

C4 H6 N4 O2

Formal charge

0

Molecular weight

142.116 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NC(N)=C(N)C(=O)N1
SMILES CACTVS 3.341 NC1=C(N)C(=O)NC(=O)N1
SMILES OpenEye OEToolkits 1.5.0 C1(=C(NC(=O)NC1=O)N)N
Canonical SMILES CACTVS 3.341 NC1=C(N)C(=O)NC(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1(=C(NC(=O)NC1=O)N)N

IUPAC InChI

InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)

IUPAC InChI key

BBTNLADSUVOPPN-UHFFFAOYSA-N
URN

wwPDB Information

Atom count

16 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-11-02

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned